Molecule

ID:50166

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h1-5,12-13H,6-10H2
InChIKey
GLZRMVTXAKDQMC-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)CCc1ccccc1
Isomeric Smiles
N1CC(CCc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6402995
LogD (pH = 7.4)
-0.5757092
Log P
2.6008332
Molar Refractivity
56.003
Polarizability
22.160364
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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